SCHEMBL2991428

SCHEMBL2991428

Cc1ccccc1-c1nnc(C(C)(C)Nc2ccccc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.39
ALDH1A1 P00352 5/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2990968 0.86 HSD11B1 (0.58) HSD11B1ALDH1A1NPC1RAB9A
SCHEMBL2991579 0.82 HSD11B1 (0.38) HSD11B1ALDH1A1PKMMAPTNPC1
SCHEMBL22792062 0.80 HSD11B1 (0.46) HSD11B1ALDH1A1PKMNPC1RAB9A
SCHEMBL2987136 0.78 MEN1 (0.46) HSD11B1ALDH1A1MAPTNPC1TP53
SCHEMBL2987238 0.78 HSD11B1 (0.40) HSD11B1ALDH1A1MAPTGAAKMT2A
SCHEMBL2987116 0.77 HSD11B1 (0.44) HSD11B1
Hydrochloric Acid SCHEMBL2987303 0.76 ALDH1A1 (0.44) HSD11B1ALDH1A1PKMMAPTNPC1
SCHEMBL2986182 0.75 TP53 (0.41) HSD11B1ALDH1A1MAPTTP53RAB9A
SCHEMBL2991668 0.73 HSD11B1 (0.38) HSD11B1ALDH1A1PKMMAPTNPC1
SCHEMBL2981625 0.73 HSD11B1 (0.40) HSD11B1MAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885ALDH1A1 288/4885PKM 1808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.